2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide

C23H22N4O3S — CID 44595699

IUPAC2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1-c1csc(NC(=O)Cc2cccc3c2c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C23H22N4O3S/c1-4-14-8-5-6-10-16(14)17-13-31-22(24-17)25-19(28)12-15-9-7-11-18-20(15)21(29)27(3)23(30)26(18)2/h5-11,13H,4,12H2,1-3H3,(H,24,25,28)
InChIKeyZSSRWMADJXKXMM-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.10
Rot. Bonds5

About 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide

2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 44595699) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID44595699
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1-c1csc(NC(=O)Cc2cccc3c2c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C23H22N4O3S/c1-4-14-8-5-6-10-16(14)17-13-31-22(24-17)25-19(28)12-15-9-7-11-18-20(15)21(29)27(3)23(30)26(18)2/h5-11,13H,4,12H2,1-3H3,(H,24,25,28)
InChIKeyZSSRWMADJXKXMM-UHFFFAOYSA-N
XLogP3.10
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2,3-difluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)acetamide
CID 44594710
2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 88544122
CID 118023868
CID 118023868
2-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 88904480
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(3-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-5-yl)acetamide
CID 89028073
2-(5,7-dimethyl-4,6-dioxo-[1,2]thiazolo[5,4-d]pyrimidin-3-yl)-N-[4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 58046585
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 16592789
N-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2-(1,3,6-trimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
CID 46918029
2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)-N-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 90905567
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
N-[4-(4-ethyl-3,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyl-3-methyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acetamide
CID 91434292

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 44595699) is 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide is CCc1ccccc1-c1csc(NC(=O)Cc2cccc3c2c(=O)n(C)c(=O)n3C)n1.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZSSRWMADJXKXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-4-14-8-5-6-10-16(14)17-13-31-22(24-17)25-19(28)12-15-9-7-11-18-20(15)21(29)27(3)23(30)26(18)2/h5-11,13H,4,12H2,1-3H3,(H,24,25,28).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxoquinazolin-5-yl)-N-[4-(2-ethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 44595699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).